CID 71078103

1345974-62-0

Structural Information

Molecular Formula
C22H17BrO2
SMILES
C1[C@](C1(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)Br)C(=O)O
InChI
InChI=1S/C22H17BrO2/c23-19-13-11-18(12-14-19)22(20(24)25)15-21(22,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,15H2,(H,24,25)/t22-/m0/s1
InChIKey
ZLKYFKSSAGJQLB-QFIPXVFZSA-N
Compound name
(1R)-1-(4-bromophenyl)-2,2-diphenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

392.0412 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04848 181.9
[M+Na]+ 415.03042 193.3
[M-H]- 391.03392 195.8
[M+NH4]+ 410.07502 195.1
[M+K]+ 431.00436 182.7
[M+H-H2O]+ 375.03846 181.3
[M+HCOO]- 437.03940 201.0
[M+CH3COO]- 451.05505 194.3
[M+Na-2H]- 413.01587 188.1
[M]+ 392.04065 201.4
[M]- 392.04175 201.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe