CID 62879537

(4-bromophenyl)(1-phenylcyclopropyl)methanol

Structural Information

Molecular Formula
C16H15BrO
SMILES
C1CC1(C2=CC=CC=C2)C(C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C16H15BrO/c17-14-8-6-12(7-9-14)15(18)16(10-11-16)13-4-2-1-3-5-13/h1-9,15,18H,10-11H2
InChIKey
AOZQKHGORLDUNY-UHFFFAOYSA-N
Compound name
(4-bromophenyl)-(1-phenylcyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.03064 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03792 159.5
[M+Na]+ 325.01986 170.9
[M-H]- 301.02336 170.8
[M+NH4]+ 320.06446 174.8
[M+K]+ 340.99380 159.8
[M+H-H2O]+ 285.02790 159.4
[M+HCOO]- 347.02884 179.2
[M+CH3COO]- 361.04449 173.1
[M+Na-2H]- 323.00531 166.4
[M]+ 302.03009 178.1
[M]- 302.03119 178.1
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

No patent data available for this compound.