CID 626014

7-chloro-7,12-dihydrobenzo[c]phenarsazine

Structural Information

Molecular Formula
C16H11AsClN
SMILES
C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C4[As]3Cl
InChI
InChI=1S/C16H11AsClN/c18-17-13-7-3-4-8-15(13)19-16-12-6-2-1-5-11(12)9-10-14(16)17/h1-10,19H
InChIKey
TWGVXSFXGKSMOQ-UHFFFAOYSA-N
Compound name
7-chloro-12H-benzo[c]phenarsazinine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.97958 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.98686 166.7
[M+Na]+ 349.96880 176.5
[M-H]- 325.97230 169.5
[M+NH4]+ 345.01340 184.6
[M+K]+ 365.94274 167.6
[M+H-H2O]+ 309.97684 158.6
[M+HCOO]- 371.97778 178.4
[M+CH3COO]- 385.99343 177.3
[M+Na-2H]- 347.95425 174.6
[M]+ 326.97903 166.0
[M]- 326.98013 166.0
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.