CID 95508

2-bromo-2-nitroethanol

Structural Information

Molecular Formula
C2H4BrNO3
SMILES
C(C([N+](=O)[O-])Br)O
InChI
InChI=1S/C2H4BrNO3/c3-2(1-5)4(6)7/h2,5H,1H2
InChIKey
OGGHUMVMTWCANK-UHFFFAOYSA-N
Compound name
2-bromo-2-nitroethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

101
Patents

168.93745 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.94473 127.7
[M+Na]+ 191.92667 129.0
[M+NH4]+ 186.97127 131.7
[M+K]+ 207.90061 133.3
[M-H]- 167.93017 126.3
[M+Na-2H]- 189.91212 128.1
[M]+ 168.93690 125.9
[M]- 168.93800 125.9
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