CID 21386913

2-(dibromomethyl)phenol

Structural Information

Molecular Formula
C7H6Br2O
SMILES
C1=CC=C(C(=C1)C(Br)Br)O
InChI
InChI=1S/C7H6Br2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7,10H
InChIKey
ZGVXFDRYTHOVOE-UHFFFAOYSA-N
Compound name
2-(dibromomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

263.87854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.885816 135.1
[M+Na]+ 286.867758 145.6
[M-H]- 262.871264 140.9
[M+NH4]+ 281.912363 154.7
[M+K]+ 302.841698 130.4
[M+H-H2O]+ 246.875800 143.6
[M+HCOO]- 308.876741 150.3
[M+CH3COO]- 322.892391 196.4
[M+Na-2H]- 284.853206 142.4
[M]+ 263.87799142 167.7
[M]- 263.87908858 167.7
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