CID 49757473

(2-bromo-4-nitrophenyl)methanol

Structural Information

Molecular Formula
C7H6BrNO3
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Br)CO
InChI
InChI=1S/C7H6BrNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-3,10H,4H2
InChIKey
SKFLKCLXNZFRNN-UHFFFAOYSA-N
Compound name
(2-bromo-4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

230.95311 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.96039 139.5
[M+Na]+ 253.94233 150.8
[M-H]- 229.94583 145.0
[M+NH4]+ 248.98693 159.9
[M+K]+ 269.91627 136.2
[M+H-H2O]+ 213.95037 143.8
[M+HCOO]- 275.95131 161.9
[M+CH3COO]- 289.96696 178.9
[M+Na-2H]- 251.92778 148.3
[M]+ 230.95256 157.1
[M]- 230.95366 157.1
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