CID 3838042

3-nitro-10h-phenothiazine

Structural Information

Molecular Formula
C12H8N2O2S
SMILES
C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2S/c15-14(16)8-5-6-10-12(7-8)17-11-4-2-1-3-9(11)13-10/h1-7,13H
InChIKey
CLXYGCPNHLXLPD-UHFFFAOYSA-N
Compound name
3-nitro-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

221
Patents

244.03065 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.03793 144.1
[M+Na]+ 267.01987 151.6
[M-H]- 243.02337 146.8
[M+NH4]+ 262.06447 161.1
[M+K]+ 282.99381 142.3
[M+H-H2O]+ 227.02791 142.0
[M+HCOO]- 289.02885 159.2
[M+CH3COO]- 303.04450 183.5
[M+Na-2H]- 265.00532 153.5
[M]+ 244.03010 141.5
[M]- 244.03120 141.5
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

No patent data available for this compound.