CID 72850

2-bromobenzyl alcohol

Structural Information

Molecular Formula
C7H7BrO
SMILES
C1=CC=C(C(=C1)CO)Br
InChI
InChI=1S/C7H7BrO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey
IOWGHQGLUMEZKG-UHFFFAOYSA-N
Compound name
(2-bromophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

2024
Patents

185.96803 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.975306 129.3
[M+Na]+ 208.957248 141.2
[M-H]- 184.960754 134.7
[M+NH4]+ 204.001853 152.2
[M+K]+ 224.931188 130.3
[M+H-H2O]+ 168.965290 130.3
[M+HCOO]- 230.966231 150.7
[M+CH3COO]- 244.981881 176.8
[M+Na-2H]- 206.942696 138.3
[M]+ 185.96748142 147.0
[M]- 185.96857858 147.0
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