CID 12867480

1-bromocyclopropanecarboxylic acid

Structural Information

Molecular Formula
C4H5BrO2
SMILES
C1CC1(C(=O)O)Br
InChI
InChI=1S/C4H5BrO2/c5-4(1-2-4)3(6)7/h1-2H2,(H,6,7)
InChIKey
LGHSAVSEBATWBX-UHFFFAOYSA-N
Compound name
1-bromocyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

163.9473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.95458 125.2
[M+Na]+ 186.93652 138.8
[M-H]- 162.94002 131.8
[M+NH4]+ 181.98112 145.8
[M+K]+ 202.91046 128.9
[M+H-H2O]+ 146.94456 126.8
[M+HCOO]- 208.94550 145.5
[M+CH3COO]- 222.96115 175.4
[M+Na-2H]- 184.92197 134.1
[M]+ 163.94675 144.7
[M]- 163.94785 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe