CID 23363134

60666-70-8

Structural Information

Molecular Formula
C7H6BrClO
SMILES
C1=CC(=C(C=C1Cl)CO)Br
InChI
InChI=1S/C7H6BrClO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey
YOLUSOFTODTRQV-UHFFFAOYSA-N
Compound name
(2-bromo-5-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

332
Patents

219.92906 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.93634 133.4
[M+Na]+ 242.91828 147.1
[M-H]- 218.92178 139.0
[M+NH4]+ 237.96288 156.2
[M+K]+ 258.89222 134.2
[M+H-H2O]+ 202.92632 135.3
[M+HCOO]- 264.92726 150.5
[M+CH3COO]- 278.94291 181.5
[M+Na-2H]- 240.90373 141.5
[M]+ 219.92851 153.3
[M]- 219.92961 153.3
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