CID 57443306

Methyl 1-(4-(bromomethyl)phenyl)cyclopropanecarboxylate

Structural Information

Molecular Formula
C12H13BrO2
SMILES
COC(=O)C1(CC1)C2=CC=C(C=C2)CBr
InChI
InChI=1S/C12H13BrO2/c1-15-11(14)12(6-7-12)10-4-2-9(8-13)3-5-10/h2-5H,6-8H2,1H3
InChIKey
LOXCTPDCGDIIIJ-UHFFFAOYSA-N
Compound name
methyl 1-[4-(bromomethyl)phenyl]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

268.0099 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.01718 151.7
[M+Na]+ 290.99912 164.4
[M-H]- 267.00262 161.8
[M+NH4]+ 286.04372 169.3
[M+K]+ 306.97306 154.2
[M+H-H2O]+ 251.00716 152.0
[M+HCOO]- 313.00810 172.7
[M+CH3COO]- 327.02375 195.5
[M+Na-2H]- 288.98457 158.8
[M]+ 268.00935 173.7
[M]- 268.01045 173.7
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