CID 99243

14628-81-0

Structural Information

Molecular Formula
C13H6Cl4N2O4
SMILES
C1=CC(=CC=C1NC(=O)OC2=C(C(=C(C=C2Cl)Cl)Cl)[N+](=O)[O-])Cl
InChI
InChI=1S/C13H6Cl4N2O4/c14-6-1-3-7(4-2-6)18-13(20)23-12-9(16)5-8(15)10(17)11(12)19(21)22/h1-5H,(H,18,20)
InChIKey
XEYNDINQFLTEIQ-UHFFFAOYSA-N
Compound name
(3,4,6-trichloro-2-nitrophenyl) N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.90817 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.91545 181.9
[M+Na]+ 416.89739 189.7
[M-H]- 392.90089 185.0
[M+NH4]+ 411.94199 193.2
[M+K]+ 432.87133 181.3
[M+H-H2O]+ 376.90543 182.3
[M+HCOO]- 438.90637 187.1
[M+CH3COO]- 452.92202 211.9
[M+Na-2H]- 414.88284 182.8
[M]+ 393.90762 185.3
[M]- 393.90872 185.3
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