CID 10656303

(3-bromo-2,5-dimethylphenyl)methanol

Structural Information

Molecular Formula
C9H11BrO
SMILES
CC1=CC(=C(C(=C1)Br)C)CO
InChI
InChI=1S/C9H11BrO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-4,11H,5H2,1-2H3
InChIKey
JFJVXKYARHQXHL-UHFFFAOYSA-N
Compound name
(3-bromo-2,5-dimethylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

213.99933 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.006606 137.1
[M+Na]+ 236.988548 149.8
[M-H]- 212.992054 142.8
[M+NH4]+ 232.033153 159.5
[M+K]+ 252.962488 138.5
[M+H-H2O]+ 196.996590 138.0
[M+HCOO]- 258.997531 157.8
[M+CH3COO]- 273.013181 184.6
[M+Na-2H]- 234.973996 143.8
[M]+ 213.99878142 156.2
[M]- 213.99987858 156.2
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