CID 75060

2'-bromoacetophenone

Structural Information

Molecular Formula
C8H7BrO
SMILES
CC(=O)C1=CC=CC=C1Br
InChI
InChI=1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
InChIKey
PIMNFNXBTGPCIL-UHFFFAOYSA-N
Compound name
1-(2-bromophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2224
Patents

197.96803 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.975306 131.7
[M+Na]+ 220.957248 143.7
[M-H]- 196.960754 138.4
[M+NH4]+ 216.001853 154.7
[M+K]+ 236.931188 133.4
[M+H-H2O]+ 180.965290 132.5
[M+HCOO]- 242.966231 153.6
[M+CH3COO]- 256.981881 182.1
[M+Na-2H]- 218.942696 139.6
[M]+ 197.96748142 150.4
[M]- 197.96857858 150.4
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