CID 66661920

345965-53-9

Structural Information

Molecular Formula
C14H17BrO2
SMILES
CC(C)(C)OC(=O)C1(CC1)C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H17BrO2/c1-13(2,3)17-12(16)14(8-9-14)10-4-6-11(15)7-5-10/h4-7H,8-9H2,1-3H3
InChIKey
OCIDCJXKYGNZCU-UHFFFAOYSA-N
Compound name
tert-butyl 1-(4-bromophenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

296.0412 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.04848 160.3
[M+Na]+ 319.03042 172.7
[M-H]- 295.03392 170.4
[M+NH4]+ 314.07502 177.1
[M+K]+ 335.00436 162.4
[M+H-H2O]+ 279.03846 161.0
[M+HCOO]- 341.03940 179.3
[M+CH3COO]- 355.05505 200.5
[M+Na-2H]- 317.01587 167.2
[M]+ 296.04065 182.6
[M]- 296.04175 182.6
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