CID 4071761

1,8-dichloro-10-methyl-anthracene

Structural Information

Molecular Formula
C15H10Cl2
SMILES
CC1=C2C=CC=C(C2=CC3=C1C=CC=C3Cl)Cl
InChI
InChI=1S/C15H10Cl2/c1-9-10-4-2-6-14(16)12(10)8-13-11(9)5-3-7-15(13)17/h2-8H,1H3
InChIKey
RBPCWJPIOIJAEX-UHFFFAOYSA-N
Compound name
1,8-dichloro-10-methylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.01596 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.023236 151.8
[M+Na]+ 283.005178 165.4
[M-H]- 259.008684 157.4
[M+NH4]+ 278.049783 172.9
[M+K]+ 298.979118 157.6
[M+H-H2O]+ 243.013220 146.9
[M+HCOO]- 305.014161 165.7
[M+CH3COO]- 319.029811 165.7
[M+Na-2H]- 280.990626 159.8
[M]+ 260.01541142 157.7
[M]- 260.01650858 157.7
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

No patent data available for this compound.