CID 12603983

2-(4-bromophenyl)-2-cyclopropylacetic acid

Structural Information

Molecular Formula
C11H11BrO2
SMILES
C1CC1C(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C11H11BrO2/c12-9-5-3-8(4-6-9)10(11(13)14)7-1-2-7/h3-7,10H,1-2H2,(H,13,14)
InChIKey
HWVVDKCGEPNFRN-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-cyclopropylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

253.99425 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.00153 146.7
[M+Na]+ 276.98347 158.4
[M-H]- 252.98697 155.4
[M+NH4]+ 272.02807 162.1
[M+K]+ 292.95741 146.9
[M+H-H2O]+ 236.99151 146.3
[M+HCOO]- 298.99245 166.1
[M+CH3COO]- 313.00810 192.3
[M+Na-2H]- 274.96892 151.9
[M]+ 253.99370 165.7
[M]- 253.99480 165.7
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