CID 5481836

3-chloro-4-(4-nitro-1h-pyrrol-3-yl)phenol

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
C1=CC(=C(C=C1O)Cl)C2=CNC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H7ClN2O3/c11-9-3-6(14)1-2-7(9)8-4-12-5-10(8)13(15)16/h1-5,12,14H
InChIKey
VCHUCCQVUJOEQO-UHFFFAOYSA-N
Compound name
3-chloro-4-(4-nitro-1H-pyrrol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

238.01453 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.02181 147.8
[M+Na]+ 261.00375 156.6
[M-H]- 237.00725 151.2
[M+NH4]+ 256.04835 164.6
[M+K]+ 276.97769 147.2
[M+H-H2O]+ 221.01179 146.5
[M+HCOO]- 283.01273 166.5
[M+CH3COO]- 297.02838 177.8
[M+Na-2H]- 258.98920 153.3
[M]+ 238.01398 146.3
[M]- 238.01508 146.3
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