CID 63050266

[3-bromo-4-(difluoromethoxy)phenyl]methanol

Structural Information

Molecular Formula
C8H7BrF2O2
SMILES
C1=CC(=C(C=C1CO)Br)OC(F)F
InChI
InChI=1S/C8H7BrF2O2/c9-6-3-5(4-12)1-2-7(6)13-8(10)11/h1-3,8,12H,4H2
InChIKey
TUSMUJDVUFZEJK-UHFFFAOYSA-N
Compound name
[3-bromo-4-(difluoromethoxy)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

251.95975 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.96703 144.5
[M+Na]+ 274.94897 156.3
[M-H]- 250.95247 147.3
[M+NH4]+ 269.99357 164.7
[M+K]+ 290.92291 145.2
[M+H-H2O]+ 234.95701 143.1
[M+HCOO]- 296.95795 162.7
[M+CH3COO]- 310.97360 188.4
[M+Na-2H]- 272.93442 149.5
[M]+ 251.95920 161.3
[M]- 251.96030 161.3
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