CID 5708381

216394-04-6

Structural Information

Molecular Formula
C8H8BNO4
SMILES
B(C1=CC=C(C=C1)/C=C/[N+](=O)[O-])(O)O
InChI
InChI=1S/C8H8BNO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-6,11-12H/b6-5+
InChIKey
GMEGTAODWQPCOD-AATRIKPKSA-N
Compound name
[4-[(E)-2-nitroethenyl]phenyl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.05464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.06192 136.9
[M+Na]+ 216.04386 143.2
[M-H]- 192.04736 138.0
[M+NH4]+ 211.08846 154.1
[M+K]+ 232.01780 136.7
[M+H-H2O]+ 176.05190 136.0
[M+HCOO]- 238.05284 159.4
[M+CH3COO]- 252.06849 170.7
[M+Na-2H]- 214.02931 143.4
[M]+ 193.05409 133.7
[M]- 193.05519 133.7
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