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 141.5
[M+Na]+ 253.94233 145.3
[M+NH4]+ 248.98693 146.1
[M+K]+ 269.91627 147.9
[M-H]- 229.94583 142.7
[M+Na-2H]- 251.92778 144.4
[M]+ 230.95256 141.1
[M]- 230.95366 141.1
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

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