CID 10307

Chlornaphazine

Structural Information

Molecular Formula
C14H15Cl2N
SMILES
C1=CC=C2C=C(C=CC2=C1)N(CCCl)CCCl
InChI
InChI=1S/C14H15Cl2N/c15-7-9-17(10-8-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11H,7-10H2
InChIKey
XCDXSSFOJZZGQC-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

12
References

22331
Patents

267.05817 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06545 158.2
[M+Na]+ 290.04739 166.4
[M-H]- 266.05089 162.6
[M+NH4]+ 285.09199 177.4
[M+K]+ 306.02133 160.3
[M+H-H2O]+ 250.05543 152.6
[M+HCOO]- 312.05637 172.8
[M+CH3COO]- 326.07202 201.4
[M+Na-2H]- 288.03284 164.3
[M]+ 267.05762 162.9
[M]- 267.05872 162.9
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.